ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile

C125H140N24O16S — CID 157078997

IUPACethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile
SMILESCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4ccnn4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2CC)cc1.CCn1c(-c2cccc(NS(=O)(=O)NC(C)C)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C27H32N4O4.C27H32N4O3.2C25H26N6O3.C21H24N4O3S/c1-3-31-25-18-22(35-15-5-12-30-13-16-33-17-14-30)10-11-23(25)24(19-28)26(31)20-6-8-21(9-7-20)29-27(32)34-4-2;1-3-31-25-18-22(34-17-7-16-30-14-5-6-15-30)12-13-23(25)24(19-28)26(31)20-8-10-21(11-9-20)29-27(32)33-4-2;1-3-31-23-16-20(34-15-5-13-30-14-12-27-29-30)10-11-21(23)22(17-26)24(31)18-6-8-19(9-7-18)28-25(32)33-4-2;1-3-31-23-14-20(34-13-5-12-30-17-27-16-28-30)10-11-21(23)22(15-26)24(31)18-6-8-19(9-7-18)29-25(32)33-4-2;1-5-25-20-12-17(28-4)9-10-18(20)19(13-22)21(25)15-7-6-8-16(11-15)24-29(26,27)23-14(2)3/h6-11,18H,3-5,12-17H2,1-2H3,(H,29,32);8-13,18H,3-7,14-17H2,1-2H3,(H,29,32);6-12,14,16H,3-5,13,15H2,1-2H3,(H,28,32);6-11,14,16-17H,3-5,12-13H2,1-2H3,(H,29,32);6-12,14,23-24H,5H2,1-4H3
InChIKeyADHOYQFTNBTAOH-UHFFFAOYSA-N
MW2266.71 g/mol
LogP24.02
Rot. Bonds43

About ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile

ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile (PubChem CID 157078997) has the molecular formula C125H140N24O16S and a molecular weight of 2266.71 g/mol. Its IUPAC name is ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile.

Molecular Properties

Compound Nameethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile
PubChem CID157078997
Molecular FormulaC125H140N24O16S
Molecular Weight2266.71 g/mol
Exact Mass2265.06
IUPAC Nameethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile
SMILESCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4ccnn4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2CC)cc1.CCn1c(-c2cccc(NS(=O)(=O)NC(C)C)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C27H32N4O4.C27H32N4O3.2C25H26N6O3.C21H24N4O3S/c1-3-31-25-18-22(35-15-5-12-30-13-16-33-17-14-30)10-11-23(25)24(19-28)26(31)20-6-8-21(9-7-20)29-27(32)34-4-2;1-3-31-25-18-22(34-17-7-16-30-14-5-6-15-30)12-13-23(25)24(19-28)26(31)20-8-10-21(11-9-20)29-27(32)33-4-2;1-3-31-23-16-20(34-15-5-13-30-14-12-27-29-30)10-11-21(23)22(17-26)24(31)18-6-8-19(9-7-18)28-25(32)33-4-2;1-3-31-23-14-20(34-13-5-12-30-17-27-16-28-30)10-11-21(23)22(15-26)24(31)18-6-8-19(9-7-18)29-25(32)33-4-2;1-5-25-20-12-17(28-4)9-10-18(20)19(13-22)21(25)15-7-6-8-16(11-15)24-29(26,27)23-14(2)3/h6-11,18H,3-5,12-17H2,1-2H3,(H,29,32);8-13,18H,3-7,14-17H2,1-2H3,(H,29,32);6-12,14,16H,3-5,13,15H2,1-2H3,(H,28,32);6-11,14,16-17H,3-5,12-13H2,1-2H3,(H,29,32);6-12,14,23-24H,5H2,1-4H3
InChIKeyADHOYQFTNBTAOH-UHFFFAOYSA-N
XLogP24.02
TPSA478.40 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds43
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002266.71
LogP ≤ 524.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile with MolForge

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Related Compounds

1-cyclobutyl-2-[4-(ethylsulfamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(methylsulfamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamate;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate
CID 157267853
benzyl N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclobutylethyl N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
CID 157586238
CID 157974736
CID 157974736
1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate
CID 158378689
N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate
CID 160318867
N-[4-[6-[3-(butan-2-ylamino)propoxy]-3-cyano-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[3-(3-imidazol-1-ylpropylamino)propoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3R)-oxolan-3-yl]oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-ethoxyethoxy)indol-2-yl]phenyl]carbamate
CID 160544623
1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclobutylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-pyrrolidin-1-ylbutoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate
CID 157155761
ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
CID 157165228
1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(6-carbamoyl-3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 157246039
N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;ethyl N-[3-[3-cyano-1-ethyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 157248046
[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate
CID 157360102
ethyl N-[4-[3-cyano-1-ethyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-[2-methoxyethyl(methyl)amino]propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(4-methylpiperazin-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
CID 157361370

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile?
The IUPAC name of ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile (CID 157078997) is ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile.
What is the SMILES notation for ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile?
The canonical SMILES for ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile is CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4ccnn4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2CC)cc1.CCn1c(-c2cccc(NS(=O)(=O)NC(C)C)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile?
The InChIKey is ADHOYQFTNBTAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C27H32N4O3.2C25H26N6O3.C21H24N4O3S/c1-3-31-25-18-22(35-15-5-12-30-13-16-33-17-14-30)10-11-23(25)24(19-28)26(31)20-6-8-21(9-7-20)29-27(32)34-4-2;1-3-31-25-18-22(34-17-7-16-30-14-5-6-15-30)12-13-23(25)24(19-28)26(31)20-8-10-21(11-9-20)29-27(32)33-4-2;1-3-31-23-16-20(34-15-5-13-30-14-12-27-29-30)10-11-21(23)22(17-26)24(31)18-6-8-19(9-7-18)28-25(32)33-4-2;1-3-31-23-14-20(34-13-5-12-30-17-27-16-28-30)10-11-21(23)22(15-26)24(31)18-6-8-19(9-7-18)29-25(32)33-4-2;1-5-25-20-12-17(28-4)9-10-18(20)19(13-22)21(25)15-7-6-8-16(11-15)24-29(26,27)23-14(2)3/h6-11,18H,3-5,12-17H2,1-2H3,(H,29,32);8-13,18H,3-7,14-17H2,1-2H3,(H,29,32);6-12,14,16H,3-5,13,15H2,1-2H3,(H,28,32);6-11,14,16-17H,3-5,12-13H2,1-2H3,(H,29,32);6-12,14,23-24H,5H2,1-4H3.
What are the key properties of ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile?
ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile has a molecular weight of 2266.71 g/mol, XLogP of 24.02, 43 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(3-pyrrolidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 157078997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).